2-(6-bromo-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide

C10H10BrF3N2O — CID 166390867

IUPAC2-(6-bromo-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)c1cccc(Br)n1
InChIInChI=1S/C10H10BrF3N2O/c1-6(7-3-2-4-8(11)16-7)9(17)15-5-10(12,13)14/h2-4,6H,5H2,1H3,(H,15,17)
InChIKeyJGNZITWODQASOS-UHFFFAOYSA-N
MW311.10 g/mol
LogP2.63
Rot. Bonds3

About 2-(6-bromo-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide

2-(6-bromo-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 166390867) has the molecular formula C10H10BrF3N2O and a molecular weight of 311.10 g/mol. Its IUPAC name is 2-(6-bromo-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(6-bromo-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID166390867
Molecular FormulaC10H10BrF3N2O
Molecular Weight311.10 g/mol
Exact Mass309.99
IUPAC Name2-(6-bromo-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)c1cccc(Br)n1
InChIInChI=1S/C10H10BrF3N2O/c1-6(7-3-2-4-8(11)16-7)9(17)15-5-10(12,13)14/h2-4,6H,5H2,1H3,(H,15,17)
InChIKeyJGNZITWODQASOS-UHFFFAOYSA-N
XLogP2.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.10
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(6-bromo-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 166390867) is 2-(6-bromo-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(6-bromo-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(6-bromo-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)NCC(F)(F)F)c1cccc(Br)n1.
What is the InChIKey of 2-(6-bromo-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is JGNZITWODQASOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N2O/c1-6(7-3-2-4-8(11)16-7)9(17)15-5-10(12,13)14/h2-4,6H,5H2,1H3,(H,15,17).
What are the key properties of 2-(6-bromo-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide?
2-(6-bromo-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 311.10 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 166390867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).